SCHEMBL29996463

SCHEMBL29996463

CCOc1ccc(-c2ccc(-c3cc(C(=O)O)c4cc(F)ccc4n3)cc2C)cc1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 8/20 0.59
▸ KDM4E B2RXH2 5/20 0.59
▸ SMN1; SMN2 Q16637 4/20 0.59
▸ ALDH1A1 P00352 3/20 0.59
▸ LMNA P02545 3/20 0.59
▸ HPGD P15428 2/20 0.59
▸ NPC1 O15118 1/20 0.59
▸ RAB9A P51151 1/20 0.59
▸ MEN1 O00255 2/20 0.58
▸ KMT2A Q03164 2/20 0.58
▸ HSD17B10 Q99714 2/20 0.58
▸ PLA2G2A P14555 1/20 0.54
▸ CYP1A2 P05177 1/20 0.52
▸ TSHR P16473 1/20 0.52
▸ GAA P10253 1/20 0.52
▸ TP53 P04637 2/20 0.50
▸ PDE10A Q9Y233 2/20 0.49
▸ EIF4A1 P60842 1/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL23579974 1.00 DHODH (0.59) DHODHKDM4ESMN1; SMN2ALDH1A1LMNA
SCHEMBL23579612 0.92 DHODH (0.57) DHODHKDM4ESMN1; SMN2ALDH1A1LMNA
SCHEMBL29997055 0.92 DHODH (0.57) DHODHKDM4ESMN1; SMN2ALDH1A1LMNA
SCHEMBL29997485 0.91 DHODH (0.60) DHODHKDM4ESMN1; SMN2ALDH1A1LMNA
SCHEMBL23590091 0.91 DHODH (0.60) DHODHKDM4ESMN1; SMN2ALDH1A1LMNA
SCHEMBL23590317 0.91 DHODH (0.61) DHODHKDM4ESMN1; SMN2ALDH1A1LMNA
SCHEMBL29998017 0.89 DHODH (0.58) DHODHKDM4ESMN1; SMN2ALDH1A1LMNA
SCHEMBL23590247 0.89 DHODH (0.58) DHODHKDM4ESMN1; SMN2ALDH1A1LMNA
SCHEMBL23576327 0.88 DHODH (0.71) DHODHKDM4ESMN1; SMN2ALDH1A1LMNA
SCHEMBL29617652 0.88 DHODH (0.71) DHODHKDM4ESMN1; SMN2ALDH1A1LMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115361948-A Methods and compositions for inhibiting dihydroorotate dehydrogenase 俄亥俄州国家创新基金会 2022-11-18 — — CN disclosed
EP-4081215-A1 METHODS AND COMPOSITIONS FOR INHIBITION OF DIHYDROOROTATE DEHYDROGENASE Ohio State Innovation Foundation (US) 2022-11-02 — — EP disclosed
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